piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone

C21H31N3O4S2 — CID 55428093

IUPACpiperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(C(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)CC1)N1CCCCC1
InChIInChI=1S/C21H31N3O4S2/c25-20(22-10-2-1-3-11-22)17-8-13-23(14-9-17)21(26)18-6-4-12-24(16-18)30(27,28)19-7-5-15-29-19/h5,7,15,17-18H,1-4,6,8-14,16H2
InChIKeyVHWGZNLIPDLDLN-UHFFFAOYSA-N
MW453.63 g/mol
LogP2.40
Rot. Bonds4

About piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone

piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone (PubChem CID 55428093) has the molecular formula C21H31N3O4S2 and a molecular weight of 453.63 g/mol. Its IUPAC name is piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
PubChem CID55428093
Molecular FormulaC21H31N3O4S2
Molecular Weight453.63 g/mol
Exact Mass453.18
IUPAC Namepiperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(C(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)CC1)N1CCCCC1
InChIInChI=1S/C21H31N3O4S2/c25-20(22-10-2-1-3-11-22)17-8-13-23(14-9-17)21(26)18-6-4-12-24(16-18)30(27,28)19-7-5-15-29-19/h5,7,15,17-18H,1-4,6,8-14,16H2
InChIKeyVHWGZNLIPDLDLN-UHFFFAOYSA-N
XLogP2.40
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.63
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 4605989
[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 51607049
ethyl 1-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 31943086
1-pyrrolidin-1-yl-2-[4-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 41074973
cyclobutyl-[4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 56510993
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 30124703
N-[1-[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 41312296
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 43886524
[4-(3-chlorophenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 15989414
[4-(4-methoxyphenyl)piperazin-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 92802348
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone (CID 55428093) is piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone is O=C(C1CCN(C(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)CC1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone?
The InChIKey is VHWGZNLIPDLDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4S2/c25-20(22-10-2-1-3-11-22)17-8-13-23(14-9-17)21(26)18-6-4-12-24(16-18)30(27,28)19-7-5-15-29-19/h5,7,15,17-18H,1-4,6,8-14,16H2.
What are the key properties of piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone?
piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone has a molecular weight of 453.63 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 55428093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).